[(3R)-1-methylpiperidin-1-ium-3-yl] 3,5-ditert-butylbenzoate

Systemtic Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 3,5-ditert-butylbenzoate Openeye Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [(3R)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [(3R)-1-methylpiperidin-1-ium-3-yl] ester Formula: C21H34NO2+ MolecularWeight: 332.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC2CCC[NH+](C2)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)O[C@@H]2CCC[NH+](C2)C)C(C)(C)C

InChI

InChI=1S/C21H33NO2/c1-20(2,3)16-11-15(12-17(13-16)21(4,5)6)19(23)24-18-9-8-10-22(7)14-18/h11-13,18H,8-10,14H2,1-7H3/p+1/t18-/m1/s1